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Information card for entry 7050997
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Coordinates | 7050997.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | hexafluorobenzene : phenanthrene complex (1:1) |
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Formula | C20 H10 F6 |
Calculated formula | C20 H10 F6 |
Title of publication | Arene‒perfluoroarene interactions in crystal engineering 8: structures of 1:1 complexes of hexafluorobenzene with fused-ring polyaromatic hydrocarbons |
Authors of publication | Collings, Jonathan C.; Roscoe, Karl P.; Robins, Edward G.; Batsanov, Andrei S.; Stimson, Lorna M.; Howard, Judith A. K.; Clark, Stewart J.; Marder, Todd B. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2002 |
Journal volume | 26 |
Journal issue | 12 |
Pages of publication | 1740 - 1746 |
a | 6.929 ± 0.002 Å |
b | 7.308 ± 0.001 Å |
c | 15.991 ± 0.003 Å |
α | 91.51 ± 0.01° |
β | 102.16 ± 0.01° |
γ | 100.16 ± 0.01° |
Cell volume | 777.5 ± 0.3 Å3 |
Cell temperature | 120 ± 2 K |
Ambient diffraction temperature | 120 ± 2 K |
Number of distinct elements | 3 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.059 |
Residual factor for significantly intense reflections | 0.0427 |
Weighted residual factors for significantly intense reflections | 0.1197 |
Weighted residual factors for all reflections included in the refinement | 0.1316 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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